2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium

C23H25N2O5+ — CID 7644407

About 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium

2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium (PubChem CID 7644407) has the molecular formula C23H25N2O5+ and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
• PubChem CID: 7644407
• Molecular Formula: C23H25N2O5+
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.18
• IUPAC Name: 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
• SMILES: COc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)c1
• InChI: InChI=1S/C23H24N2O5/c1-24(2)10-11-25-20(14-6-5-7-15(12-14)28-3)19-21(26)17-9-8-16(29-4)13-18(17)30-22(19)23(25)27/h5-9,12-13,20H,10-11H2,1-4H3/p+1/t20-/m1/s1
• InChIKey: GEHQSLLHHNPZSO-HXUWFJFHSA-O
• XLogP: 1.50
• TPSA: 73.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?

The IUPAC name of 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium (CID 7644407) is 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium.

What is the SMILES notation for 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?

The canonical SMILES for 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium is COc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)c1.

What is the InChIKey of 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?

The InChIKey is GEHQSLLHHNPZSO-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H24N2O5/c1-24(2)10-11-25-20(14-6-5-7-15(12-14)28-3)19-21(26)17-9-8-16(29-4)13-18(17)30-22(19)23(25)27/h5-9,12-13,20H,10-11H2,1-4H3/p+1/t20-/m1/s1.

What are the key properties of 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?

2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium has a molecular weight of 409.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium is sourced from PubChem (CID 7644407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).